2-[4-[[4-carboxyoxy-5-(2-oxidanylpropan-2-yl)-1H-imidazol-2-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-carboxyoxy-5-(2-oxidanylpropan-2-yl)-1H-imidazol-2-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-carboxyoxy-5-(1-hydroxy-1-methyl-ethyl)-1H-imidazol-2-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-carboxyoxy-5-(2-hydroxypropan-2-yl)-1H-imidazol-2-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-carboxyoxy-5-(2-hydroxypropan-2-yl)-1H-imidazol-2-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-carboxyoxy-5-(1-hydroxy-1-methyl-ethyl)-1H-imidazol-2-yl]methyl]phenyl]benzoic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(N=C(N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)OC(=O)O)O

Isomeric SMILES

CC(C)(C1=C(N=C(N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)OC(=O)O)O

InChI

InChI=1S/C21H20N2O6/c1-21(2,28)17-18(29-20(26)27)23-16(22-17)11-12-7-9-13(10-8-12)14-5-3-4-6-15(14)19(24)25/h3-10,28H,11H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)